7FQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fqn by Molmil](/molmil-images/mine/7fqn) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000497a | 分子名称: | (1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
|
|
7FRS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7frs by Molmil](/molmil-images/mine/7frs) | PanDDA analysis group deposition of ground-state model of PTP1B | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-26 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
|
|
7FRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7frj by Molmil](/molmil-images/mine/7frj) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z2856434770 | 分子名称: | 1-(3-chlorophenyl)-N-methylmethanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
|
|
7GSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gsb by Molmil](/molmil-images/mine/7gsb) | |
7GSM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gsm by Molmil](/molmil-images/mine/7gsm) | |
7GTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gtl by Molmil](/molmil-images/mine/7gtl) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000554a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, benzyl (3aS,8aS)-1-oxooctahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
|
|
7GTH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gth by Molmil](/molmil-images/mine/7gth) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000637a | 分子名称: | (6aR,8R,12R,12aS)-2-methyl-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
|
|
7GSO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gso by Molmil](/molmil-images/mine/7gso) | |
7GSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gsd by Molmil](/molmil-images/mine/7gsd) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000605a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
|
|
7GSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gsf by Molmil](/molmil-images/mine/7gsf) | |
7GSW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gsw by Molmil](/molmil-images/mine/7gsw) | |
7GSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gsz by Molmil](/molmil-images/mine/7gsz) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000686b | 分子名称: | 1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
|
|
7GT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gt4 by Molmil](/molmil-images/mine/7gt4) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000528a | 分子名称: | (4R)-4-hydroxy-2-(2-hydroxyethyl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
|
|
7GST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gst by Molmil](/molmil-images/mine/7gst) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000056a | 分子名称: | 1-(methanesulfonyl)-1,2,3,4-tetrahydroquinoline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
|
|
7GTG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gtg by Molmil](/molmil-images/mine/7gtg) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000684a | 分子名称: | (5R,7S,8R,8aS)-2-(cyclopropylmethyl)-8-phenyloctahydropyrrolo[1,2-a]pyrazine-7-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
|
|
7GTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gtn by Molmil](/molmil-images/mine/7gtn) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000625a | 分子名称: | 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
|
|
7GSC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gsc by Molmil](/molmil-images/mine/7gsc) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000729a | 分子名称: | (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
|
|
7GTQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gtq by Molmil](/molmil-images/mine/7gtq) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000311a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
|
|
7GSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gsn by Molmil](/molmil-images/mine/7gsn) | |
7GU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gu7 by Molmil](/molmil-images/mine/7gu7) | |
7GT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gt2 by Molmil](/molmil-images/mine/7gt2) | |
7GU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gu9 by Molmil](/molmil-images/mine/7gu9) | |
7GTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gtb by Molmil](/molmil-images/mine/7gtb) | |
7GTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gtx by Molmil](/molmil-images/mine/7gtx) | |
7GTJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gtj by Molmil](/molmil-images/mine/7gtj) | |